2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine

C19H23N7 — CID 134589799

IUPAC2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine
SMILESCc1ncc(NCC2CCNC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H23N7/c1-14-18(9-16(12-21-14)22-11-15-7-8-20-10-15)24-19-23-13-26(25-19)17-5-3-2-4-6-17/h2-6,9,12-13,15,20,22H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyKGOWDKQMWVYWJW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine

2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine (PubChem CID 134589799) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine
PubChem CID134589799
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine
SMILESCc1ncc(NCC2CCNC2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H23N7/c1-14-18(9-16(12-21-14)22-11-15-7-8-20-10-15)24-19-23-13-26(25-19)17-5-3-2-4-6-17/h2-6,9,12-13,15,20,22H,7-8,10-11H2,1H3,(H,24,25)
InChIKeyKGOWDKQMWVYWJW-UHFFFAOYSA-N
XLogP2.74
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589514
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
N-(piperidin-4-ylmethyl)quinolin-3-amine
CID 79707909
2-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563795
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
CID 142371455
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine (CID 134589799) is 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine is Cc1ncc(NCC2CCNC2)cc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine?
The InChIKey is KGOWDKQMWVYWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-14-18(9-16(12-21-14)22-11-15-7-8-20-10-15)24-19-23-13-26(25-19)17-5-3-2-4-6-17/h2-6,9,12-13,15,20,22H,7-8,10-11H2,1H3,(H,24,25).
What are the key properties of 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine?
2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine has a molecular weight of 349.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(1-phenyl-1,2,4-triazol-3-yl)-5-N-(pyrrolidin-3-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 134589799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).