N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine

C9H12N6 — CID 133418158

IUPACN,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2ncn[nH]2)nc1
InChIInChI=1S/C9H12N6/c1-7-3-10-9(11-4-7)15(2)5-8-12-6-13-14-8/h3-4,6H,5H2,1-2H3,(H,12,13,14)
InChIKeyKFYCZELDBRRSCI-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.54
Rot. Bonds3

About N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine

N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 133418158) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID133418158
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2ncn[nH]2)nc1
InChIInChI=1S/C9H12N6/c1-7-3-10-9(11-4-7)15(2)5-8-12-6-13-14-8/h3-4,6H,5H2,1-2H3,(H,12,13,14)
InChIKeyKFYCZELDBRRSCI-UHFFFAOYSA-N
XLogP0.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine (CID 133418158) is N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine is Cc1cnc(N(C)Cc2ncn[nH]2)nc1.
What is the InChIKey of N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is KFYCZELDBRRSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-7-3-10-9(11-4-7)15(2)5-8-12-6-13-14-8/h3-4,6H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine?
N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 204.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 133418158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).