1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol

C9H18N4O — CID 135209710

IUPAC1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cn1cc(CN)nn1
InChIInChI=1S/C9H18N4O/c1-7(2)3-9(14)6-13-5-8(4-10)11-12-13/h5,7,9,14H,3-4,6,10H2,1-2H3
InChIKeyCPZVBXAFVRBLJO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds5

About 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol

1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol (PubChem CID 135209710) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol
PubChem CID135209710
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cn1cc(CN)nn1
InChIInChI=1S/C9H18N4O/c1-7(2)3-9(14)6-13-5-8(4-10)11-12-13/h5,7,9,14H,3-4,6,10H2,1-2H3
InChIKeyCPZVBXAFVRBLJO-UHFFFAOYSA-N
XLogP0.14
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol (CID 135209710) is 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol is CC(C)CC(O)Cn1cc(CN)nn1.
What is the InChIKey of 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol?
The InChIKey is CPZVBXAFVRBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(2)3-9(14)6-13-5-8(4-10)11-12-13/h5,7,9,14H,3-4,6,10H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol?
1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)triazol-1-yl]-4-methylpentan-2-ol is sourced from PubChem (CID 135209710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).