6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine

C7H7ClN6 — CID 131198007

IUPAC6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cn[nH]n2)ncn1
InChIInChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14)
InChIKeyCYLULTURMSAXCF-UHFFFAOYSA-N
MW210.63 g/mol
LogP0.86
Rot. Bonds3

About 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine

6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 131198007) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID131198007
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cn[nH]n2)ncn1
InChIInChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14)
InChIKeyCYLULTURMSAXCF-UHFFFAOYSA-N
XLogP0.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137272886
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178029
6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 171090415
4-[[(6-chloropyrimidin-4-yl)amino]methyl]-2,6-dimethylphenol
CID 171090096
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
CID 121205983
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171089636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine (CID 131198007) is 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2cn[nH]n2)ncn1.
What is the InChIKey of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is CYLULTURMSAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 210.63 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 131198007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).