4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine

C19H17N7 — CID 72859116

IUPAC4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2ccncc2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N7/c1-14(15-2-4-17(5-3-15)26-13-21-12-23-26)24-19-22-11-8-18(25-19)16-6-9-20-10-7-16/h2-14H,1H3,(H,22,24,25)
InChIKeyYRHKPTPQJWFWIO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds5

About 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine

4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine (PubChem CID 72859116) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine
PubChem CID72859116
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2ccncc2)n1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N7/c1-14(15-2-4-17(5-3-15)26-13-21-12-23-26)24-19-22-11-8-18(25-19)16-6-9-20-10-7-16/h2-14H,1H3,(H,22,24,25)
InChIKeyYRHKPTPQJWFWIO-UHFFFAOYSA-N
XLogP3.29
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
N-propan-2-yl-4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]pyridine-2-carboxamide
CID 95708356
3,6-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97188113
6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 50969096
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 133327133
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 116795499
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
4-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 95896551

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine (CID 72859116) is 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine is CC(Nc1nccc(-c2ccncc2)n1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine?
The InChIKey is YRHKPTPQJWFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-14(15-2-4-17(5-3-15)26-13-21-12-23-26)24-19-22-11-8-18(25-19)16-6-9-20-10-7-16/h2-14H,1H3,(H,22,24,25).
What are the key properties of 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine?
4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72859116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).