(2-tert-butyl-1,2,4-triazol-3-yl)methanamine

C7H14N4 — CID 112756369

IUPAC(2-tert-butyl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)(C)n1ncnc1CN
InChIInChI=1S/C7H14N4/c1-7(2,3)11-6(4-8)9-5-10-11/h5H,4,8H2,1-3H3
InChIKeyXBDAQUIRZHEBOJ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.49
Rot. Bonds1

About (2-tert-butyl-1,2,4-triazol-3-yl)methanamine

(2-tert-butyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112756369) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2-tert-butyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112756369
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2-tert-butyl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)(C)n1ncnc1CN
InChIInChI=1S/C7H14N4/c1-7(2,3)11-6(4-8)9-5-10-11/h5H,4,8H2,1-3H3
InChIKeyXBDAQUIRZHEBOJ-UHFFFAOYSA-N
XLogP0.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-amine
CID 6492581
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 28064235
1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 155512326

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2-tert-butyl-1,2,4-triazol-3-yl)methanamine (CID 112756369) is (2-tert-butyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1,2,4-triazol-3-yl)methanamine is CC(C)(C)n1ncnc1CN.
What is the InChIKey of (2-tert-butyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is XBDAQUIRZHEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,3)11-6(4-8)9-5-10-11/h5H,4,8H2,1-3H3.
What are the key properties of (2-tert-butyl-1,2,4-triazol-3-yl)methanamine?
(2-tert-butyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 154.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112756369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).