5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

C21H20N10 — CID 23372849

IUPAC5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(N)nc2n1
InChIInChI=1S/C21H20N10/c1-3-14-12-18(31-21(23-14)24-20(22)27-31)30(2)15-10-8-13(9-11-15)16-6-4-5-7-17(16)19-25-28-29-26-19/h4-12H,3H2,1-2H3,(H2,22,27)(H,25,26,28,29)
InChIKeyBEWZVGISLOJTPC-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.88
Rot. Bonds5

About 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 23372849) has the molecular formula C21H20N10 and a molecular weight of 412.46 g/mol. Its IUPAC name is 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID23372849
Molecular FormulaC21H20N10
Molecular Weight412.46 g/mol
Exact Mass412.19
IUPAC Name5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(N)nc2n1
InChIInChI=1S/C21H20N10/c1-3-14-12-18(31-21(23-14)24-20(22)27-31)30(2)15-10-8-13(9-11-15)16-6-4-5-7-17(16)19-25-28-29-26-19/h4-12H,3H2,1-2H3,(H2,22,27)(H,25,26,28,29)
InChIKeyBEWZVGISLOJTPC-UHFFFAOYSA-N
XLogP2.88
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine with MolForge

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Related Compounds

3-chloro-5-ethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 19975783
5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
N-[5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 54158998
3-chloro-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862650
3-bromo-2,6-diethyl-N-methyl-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridin-4-amine;hydrochloride
CID 67862107
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499
[6-ethyl-2-methyl-4-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]-3-pyridinyl]-phenylmethanone
CID 54140911
N-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-3,5-diethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54408477
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
N-[4-[4-chloro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]-5-ethyl-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 54490408
(R)-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-5-yl)-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 57193343
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine (CID 23372849) is 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine is CCc1cc(N(C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2nc(N)nc2n1.
What is the InChIKey of 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is BEWZVGISLOJTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10/c1-3-14-12-18(31-21(23-14)24-20(22)27-31)30(2)15-10-8-13(9-11-15)16-6-4-5-7-17(16)19-25-28-29-26-19/h4-12H,3H2,1-2H3,(H2,22,27)(H,25,26,28,29).
What are the key properties of 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine?
5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 412.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 23372849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).