N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine

C8H10N6 — CID 107587777

IUPACN-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
SMILESCn1nncc1CNc1cncnc1
InChIInChI=1S/C8H10N6/c1-14-8(5-12-13-14)4-11-7-2-9-6-10-3-7/h2-3,5-6,11H,4H2,1H3
InChIKeyQHBZWVRKCMHHTJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.22
Rot. Bonds3

About N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine

N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine (PubChem CID 107587777) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
PubChem CID107587777
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
SMILESCn1nncc1CNc1cncnc1
InChIInChI=1S/C8H10N6/c1-14-8(5-12-13-14)4-11-7-2-9-6-10-3-7/h2-3,5-6,11H,4H2,1H3
InChIKeyQHBZWVRKCMHHTJ-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

4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
4-[(2-Dimethylaminoethyl)amino]-imidazo[1,5-d]-as-triazine
CID 12493313
N-methylimidazo[1,5-d][1,2,4]triazin-4-amine
CID 12493318
1-(pyrimidin-2-yl)-1H-pyrazol-4-amine
CID 43531925
N2-methylpyrimidine-2,5-diamine
CID 61146915
N-ethylpyrimidin-5-amine
CID 69472207
4-amino-1-(4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726863
4-(2-butyl)amino-1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726867
2-(1H-1,2,3-triazol-5-yl)Pyrimidine
CID 9942181
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
1-(1-isobutyl-1H-imidazol-5-yl)-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131907392

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine (CID 107587777) is N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine is Cn1nncc1CNc1cncnc1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine?
The InChIKey is QHBZWVRKCMHHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-14-8(5-12-13-14)4-11-7-2-9-6-10-3-7/h2-3,5-6,11H,4H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine?
N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-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-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107587777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).