N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine

C11H10N6 — CID 3696751

IUPACN-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCn2nnc3ccccc32)nc1
InChIInChI=1S/C11H10N6/c1-2-5-10-9(4-1)15-16-17(10)8-14-11-12-6-3-7-13-11/h1-7H,8H2,(H,12,13,14)
InChIKeyXDGDEDJENCJNBS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.29
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine

N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine (PubChem CID 3696751) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
PubChem CID3696751
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC NameN-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCn2nnc3ccccc32)nc1
InChIInChI=1S/C11H10N6/c1-2-5-10-9(4-1)15-16-17(10)8-14-11-12-6-3-7-13-11/h1-7H,8H2,(H,12,13,14)
InChIKeyXDGDEDJENCJNBS-UHFFFAOYSA-N
XLogP1.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine (CID 3696751) is N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine is c1cnc(NCn2nnc3ccccc32)nc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is XDGDEDJENCJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-2-5-10-9(4-1)15-16-17(10)8-14-11-12-6-3-7-13-11/h1-7H,8H2,(H,12,13,14).
What are the key properties of N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine?
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 3696751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).