4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile

C17H18N6 — CID 133384013

IUPAC4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
SMILESCCCN(Cc1ccc(C#N)cc1)c1cc(C)nc2ncnn12
InChIInChI=1S/C17H18N6/c1-3-8-22(11-15-6-4-14(10-18)5-7-15)16-9-13(2)21-17-19-12-20-23(16)17/h4-7,9,12H,3,8,11H2,1-2H3
InChIKeySLZKZWLETWOZQT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.72
Rot. Bonds5

About 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile

4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile (PubChem CID 133384013) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
PubChem CID133384013
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
SMILESCCCN(Cc1ccc(C#N)cc1)c1cc(C)nc2ncnn12
InChIInChI=1S/C17H18N6/c1-3-8-22(11-15-6-4-14(10-18)5-7-15)16-9-13(2)21-17-19-12-20-23(16)17/h4-7,9,12H,3,8,11H2,1-2H3
InChIKeySLZKZWLETWOZQT-UHFFFAOYSA-N
XLogP2.72
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18156188
4-[[(6-chloro-2-methylpyrimidin-4-yl)-propylamino]methyl]benzonitrile
CID 133384001
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908
methyl 2-[(3,4-difluorophenyl)methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 75444436
4-bromo-2-[[ethyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 133380991
N-[[4-(difluoromethoxy)phenyl]methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191359
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 133445874
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile (CID 133384013) is 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile is CCCN(Cc1ccc(C#N)cc1)c1cc(C)nc2ncnn12.
What is the InChIKey of 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile?
The InChIKey is SLZKZWLETWOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-8-22(11-15-6-4-14(10-18)5-7-15)16-9-13(2)21-17-19-12-20-23(16)17/h4-7,9,12H,3,8,11H2,1-2H3.
What are the key properties of 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile?
4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile is sourced from PubChem (CID 133384013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).