(4-methylidenebenzotriazol-5-yl)methanamine

C8H8N4 — CID 175218702

IUPAC(4-methylidenebenzotriazol-5-yl)methanamine
SMILESC=c1c(CN)ccc2c1=NN=N2
InChIInChI=1S/C8H8N4/c1-5-6(4-9)2-3-7-8(5)11-12-10-7/h2-3H,1,4,9H2
InChIKeyUOJQXEJRHBCCGK-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.19
Rot. Bonds1

About (4-methylidenebenzotriazol-5-yl)methanamine

(4-methylidenebenzotriazol-5-yl)methanamine (PubChem CID 175218702) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is (4-methylidenebenzotriazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methylidenebenzotriazol-5-yl)methanamine
PubChem CID175218702
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name(4-methylidenebenzotriazol-5-yl)methanamine
SMILESC=c1c(CN)ccc2c1=NN=N2
InChIInChI=1S/C8H8N4/c1-5-6(4-9)2-3-7-8(5)11-12-10-7/h2-3H,1,4,9H2
InChIKeyUOJQXEJRHBCCGK-UHFFFAOYSA-N
XLogP0.19
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylidenebenzotriazol-5-yl)methanamine?
The IUPAC name of (4-methylidenebenzotriazol-5-yl)methanamine (CID 175218702) is (4-methylidenebenzotriazol-5-yl)methanamine.
What is the SMILES notation for (4-methylidenebenzotriazol-5-yl)methanamine?
The canonical SMILES for (4-methylidenebenzotriazol-5-yl)methanamine is C=c1c(CN)ccc2c1=NN=N2.
What is the InChIKey of (4-methylidenebenzotriazol-5-yl)methanamine?
The InChIKey is UOJQXEJRHBCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-5-6(4-9)2-3-7-8(5)11-12-10-7/h2-3H,1,4,9H2.
What are the key properties of (4-methylidenebenzotriazol-5-yl)methanamine?
(4-methylidenebenzotriazol-5-yl)methanamine has a molecular weight of 160.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenebenzotriazol-5-yl)methanamine is sourced from PubChem (CID 175218702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).