N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H21N7 — CID 146083976

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)n2ncnc2n1
InChIInChI=1S/C19H21N7/c1-14(2)17-9-18(26-19(24-17)22-12-23-26)21-10-15-4-3-5-16(8-15)11-25-7-6-20-13-25/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeySHRZFIHWDAMCJB-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.10
Rot. Bonds6

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 146083976) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID146083976
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)n2ncnc2n1
InChIInChI=1S/C19H21N7/c1-14(2)17-9-18(26-19(24-17)22-12-23-26)21-10-15-4-3-5-16(8-15)11-25-7-6-20-13-25/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeySHRZFIHWDAMCJB-UHFFFAOYSA-N
XLogP3.10
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409051
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86884903
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 139004553
1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 166397375
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133335553
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 146083976) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCc2cccc(Cn3ccnc3)c2)n2ncnc2n1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SHRZFIHWDAMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14(2)17-9-18(26-19(24-17)22-12-23-26)21-10-15-4-3-5-16(8-15)11-25-7-6-20-13-25/h3-9,12-14,21H,10-11H2,1-2H3.
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 146083976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).