5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine

C7H7ClN6 — CID 130602628

IUPAC5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2ncnc(N)c2Cl)nn1
InChIInChI=1S/C7H7ClN6/c1-14-2-4(12-13-14)6-5(8)7(9)11-3-10-6/h2-3H,1H3,(H2,9,10,11)
InChIKeyOGIXZRBGGPDYDO-UHFFFAOYSA-N
MW210.63 g/mol
LogP0.51
Rot. Bonds1

About 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine

5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 130602628) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
PubChem CID130602628
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2ncnc(N)c2Cl)nn1
InChIInChI=1S/C7H7ClN6/c1-14-2-4(12-13-14)6-5(8)7(9)11-3-10-6/h2-3H,1H3,(H2,9,10,11)
InChIKeyOGIXZRBGGPDYDO-UHFFFAOYSA-N
XLogP0.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-(1-methyltriazol-4-yl)aniline
CID 165401729
4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 130521306
3-chloro-4-(1-methyltriazol-4-yl)aniline
CID 130602625
1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole
CID 167907347
5-chloro-6-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 114049719
5-(1-methyltriazol-4-yl)pyridin-3-amine
CID 130602643
2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 91165964
3-(1-methyltriazol-4-yl)aniline
CID 89194018
3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
CID 130521815
1-methyl-4-phenyltriazole
CID 11309663
methyl 2-chloro-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864582
6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 103132081

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine (CID 130602628) is 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2ncnc(N)c2Cl)nn1.
What is the InChIKey of 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is OGIXZRBGGPDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c1-14-2-4(12-13-14)6-5(8)7(9)11-3-10-6/h2-3H,1H3,(H2,9,10,11).
What are the key properties of 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine?
5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 210.63 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 130602628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).