(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine

C9H16N4 — CID 84718428

IUPAC(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
SMILESCCn1nnc2c1C(CN)CCC2
InChIInChI=1S/C9H16N4/c1-2-13-9-7(6-10)4-3-5-8(9)11-12-13/h7H,2-6,10H2,1H3
InChIKeyUZVLFJCOMZCRKT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.68
Rot. Bonds2

About (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine

(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine (PubChem CID 84718428) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
PubChem CID84718428
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
SMILESCCn1nnc2c1C(CN)CCC2
InChIInChI=1S/C9H16N4/c1-2-13-9-7(6-10)4-3-5-8(9)11-12-13/h7H,2-6,10H2,1H3
InChIKeyUZVLFJCOMZCRKT-UHFFFAOYSA-N
XLogP0.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine
CID 84720387
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)acetic acid
CID 84722839
(1-ethyl-3-methyl-4,5,6,7-tetrahydroindazol-7-yl)methanamine
CID 84720233
(3-cyclopropyl-5,6-dihydro-4H-cyclopenta[d]triazol-4-yl)methanamine
CID 83875015
2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine
CID 84720379
(2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718415
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
N-methyl-1-(3-methyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 83875590
3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
CID 84717166
(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
CID 83861961
5-cyclopropyl-1-ethyltriazole-4-carbothioamide
CID 164663724
3-phenyl-4,5,6,7-tetrahydrobenzotriazol-4-amine
CID 115058116

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine?
The IUPAC name of (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine (CID 84718428) is (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine is CCn1nnc2c1C(CN)CCC2.
What is the InChIKey of (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine?
The InChIKey is UZVLFJCOMZCRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-9-7(6-10)4-3-5-8(9)11-12-13/h7H,2-6,10H2,1H3.
What are the key properties of (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine?
(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine is sourced from PubChem (CID 84718428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).