1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine

C10H18N4 — CID 84720387

IUPAC1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine
SMILESCCn1nnc2c1C(CNC)CCC2
InChIInChI=1S/C10H18N4/c1-3-14-10-8(7-11-2)5-4-6-9(10)12-13-14/h8,11H,3-7H2,1-2H3
InChIKeyNJQUAWDQANMPCW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine

1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine (PubChem CID 84720387) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine
PubChem CID84720387
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine
SMILESCCn1nnc2c1C(CNC)CCC2
InChIInChI=1S/C10H18N4/c1-3-14-10-8(7-11-2)5-4-6-9(10)12-13-14/h8,11H,3-7H2,1-2H3
InChIKeyNJQUAWDQANMPCW-UHFFFAOYSA-N
XLogP0.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718428
N-methyl-1-(3-methyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 83875590
2-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)acetic acid
CID 84722839
N-methyl-1-(2-methyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)methanamine
CID 84718414
2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine
CID 84720379
1-(3-ethyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83865196
1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-ol
CID 84717227
3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
CID 84717166
(5S)-12-ethyl-5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
CID 167189415
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
1-(2-ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-methylmethanamine
CID 83865588

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine (CID 84720387) is 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine is CCn1nnc2c1C(CNC)CCC2.
What is the InChIKey of 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine?
The InChIKey is NJQUAWDQANMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-14-10-8(7-11-2)5-4-6-9(10)12-13-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine?
1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 84720387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).