(2-propan-2-ylbenzotriazol-5-yl)methanamine

C10H14N4 — CID 84719599

IUPAC(2-propan-2-ylbenzotriazol-5-yl)methanamine
SMILESCC(C)n1nc2ccc(CN)cc2n1
InChIInChI=1S/C10H14N4/c1-7(2)14-12-9-4-3-8(6-11)5-10(9)13-14/h3-5,7H,6,11H2,1-2H3
InChIKeyZJARUYSCSWCYES-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.47
Rot. Bonds2

About (2-propan-2-ylbenzotriazol-5-yl)methanamine

(2-propan-2-ylbenzotriazol-5-yl)methanamine (PubChem CID 84719599) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is (2-propan-2-ylbenzotriazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-ylbenzotriazol-5-yl)methanamine
PubChem CID84719599
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name(2-propan-2-ylbenzotriazol-5-yl)methanamine
SMILESCC(C)n1nc2ccc(CN)cc2n1
InChIInChI=1S/C10H14N4/c1-7(2)14-12-9-4-3-8(6-11)5-10(9)13-14/h3-5,7H,6,11H2,1-2H3
InChIKeyZJARUYSCSWCYES-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-propan-2-ylindazol-6-yl)methanamine
CID 84729857
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
[2-methyl-3-(trifluoromethyl)indazol-6-yl]methanamine
CID 105486263
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
(2,3-diethylquinoxalin-6-yl)methanamine
CID 82509122
[4-[1-(1,2,4-triazol-4-yl)ethyl]phenyl]methanamine
CID 62268419
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
(2-propan-2-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357425

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylbenzotriazol-5-yl)methanamine?
The IUPAC name of (2-propan-2-ylbenzotriazol-5-yl)methanamine (CID 84719599) is (2-propan-2-ylbenzotriazol-5-yl)methanamine.
What is the SMILES notation for (2-propan-2-ylbenzotriazol-5-yl)methanamine?
The canonical SMILES for (2-propan-2-ylbenzotriazol-5-yl)methanamine is CC(C)n1nc2ccc(CN)cc2n1.
What is the InChIKey of (2-propan-2-ylbenzotriazol-5-yl)methanamine?
The InChIKey is ZJARUYSCSWCYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7(2)14-12-9-4-3-8(6-11)5-10(9)13-14/h3-5,7H,6,11H2,1-2H3.
What are the key properties of (2-propan-2-ylbenzotriazol-5-yl)methanamine?
(2-propan-2-ylbenzotriazol-5-yl)methanamine has a molecular weight of 190.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylbenzotriazol-5-yl)methanamine is sourced from PubChem (CID 84719599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).