N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine

C9H12N6 — CID 66214042

IUPACN-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2ncccn2)nn1
InChIInChI=1S/C9H12N6/c1-10-5-8-6-15(14-13-8)7-9-11-3-2-4-12-9/h2-4,6,10H,5,7H2,1H3
InChIKeyIMPKHOKVYVHGKK-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.16
Rot. Bonds4

About N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine

N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine (PubChem CID 66214042) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
PubChem CID66214042
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2ncccn2)nn1
InChIInChI=1S/C9H12N6/c1-10-5-8-6-15(14-13-8)7-9-11-3-2-4-12-9/h2-4,6,10H,5,7H2,1H3
InChIKeyIMPKHOKVYVHGKK-UHFFFAOYSA-N
XLogP-0.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 66215841
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66194047
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 66193670
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione
CID 66191724
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
1-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66216253
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62447011

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine (CID 66214042) is N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine is CNCc1cn(Cc2ncccn2)nn1.
What is the InChIKey of N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is IMPKHOKVYVHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-10-5-8-6-15(14-13-8)7-9-11-3-2-4-12-9/h2-4,6,10H,5,7H2,1H3.
What are the key properties of N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine?
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 204.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 66214042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).