2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine

C26H26N8 — CID 67874142

IUPAC2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc2nc(C)c(C)nc12
InChIInChI=1S/C26H26N8/c1-4-15-34(26-24-23(13-14-27-26)28-17(2)18(3)29-24)16-19-9-11-20(12-10-19)21-7-5-6-8-22(21)25-30-32-33-31-25/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyWSNFCZXFWVLCRY-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.91
Rot. Bonds7

About 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine

2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 67874142) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID67874142
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc2nc(C)c(C)nc12
InChIInChI=1S/C26H26N8/c1-4-15-34(26-24-23(13-14-27-26)28-17(2)18(3)29-24)16-19-9-11-20(12-10-19)21-7-5-6-8-22(21)25-30-32-33-31-25/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyWSNFCZXFWVLCRY-UHFFFAOYSA-N
XLogP4.91
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
3,6-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 19791902
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 67874673
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19792003
1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 139656062
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-sulfonic acid
CID 19791774
1,1,1-trifluoro-N-[[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methyl]methanesulfonamide
CID 19791895
8-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 67874119
6-oxo-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1H-pyridine-3-carboxylic acid
CID 15657962
N-butyl-2-chloro-6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19791758
ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
CID 10254184
2-[4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-ethylpyrimidin-5-yl]acetic acid
CID 19791728

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 67874142) is 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccc2nc(C)c(C)nc12.
What is the InChIKey of 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is WSNFCZXFWVLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-4-15-34(26-24-23(13-14-27-26)28-17(2)18(3)29-24)16-19-9-11-20(12-10-19)21-7-5-6-8-22(21)25-30-32-33-31-25/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 450.55 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 67874142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).