[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine

C11H10N6 — CID 107542354

IUPAC[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H10N6/c12-7-8-5-6-13-11(14-8)17-10-4-2-1-3-9(10)15-16-17/h1-6H,7,12H2
InChIKeyMZYIEWIGILLMCI-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.67
Rot. Bonds2

About [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine

[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542354) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542354
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-n2nnc3ccccc32)n1
InChIInChI=1S/C11H10N6/c12-7-8-5-6-13-11(14-8)17-10-4-2-1-3-9(10)15-16-17/h1-6H,7,12H2
InChIKeyMZYIEWIGILLMCI-UHFFFAOYSA-N
XLogP0.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80853407
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine (CID 107542354) is [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine is NCc1ccnc(-n2nnc3ccccc32)n1.
What is the InChIKey of [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is MZYIEWIGILLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-7-8-5-6-13-11(14-8)17-10-4-2-1-3-9(10)15-16-17/h1-6H,7,12H2.
What are the key properties of [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine?
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 226.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).