N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine

C8H10N6 — CID 127015751

IUPACN-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
SMILESCn1cc(CNc2ncccn2)nn1
InChIInChI=1S/C8H10N6/c1-14-6-7(12-13-14)5-11-8-9-3-2-4-10-8/h2-4,6H,5H2,1H3,(H,9,10,11)
InChIKeyXFIAHKPCVCYRPB-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.22
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine

N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 127015751) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID127015751
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
SMILESCn1cc(CNc2ncccn2)nn1
InChIInChI=1S/C8H10N6/c1-14-6-7(12-13-14)5-11-8-9-3-2-4-10-8/h2-4,6H,5H2,1H3,(H,9,10,11)
InChIKeyXFIAHKPCVCYRPB-UHFFFAOYSA-N
XLogP0.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(1-methyltriazol-4-yl)methyl]pyrazin-2-amine
CID 130848412
8-methyl-N-[(1-methyltriazol-4-yl)methyl]quinolin-5-amine
CID 55113701
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107
N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 62757757
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine (CID 127015751) is N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine is Cn1cc(CNc2ncccn2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is XFIAHKPCVCYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14-6-7(12-13-14)5-11-8-9-3-2-4-10-8/h2-4,6H,5H2,1H3,(H,9,10,11).
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine?
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 190.21 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 127015751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).