2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

C13H24N4O — CID 106506897

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CN)(CO)CC1CC1
InChIInChI=1S/C13H24N4O/c1-10(2)17-12(15-9-16-17)6-13(7-14,8-18)5-11-3-4-11/h9-11,18H,3-8,14H2,1-2H3
InChIKeyKLJZYQFJFLKMRX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds7

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 106506897) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID106506897
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCC(C)n1ncnc1CC(CN)(CO)CC1CC1
InChIInChI=1S/C13H24N4O/c1-10(2)17-12(15-9-16-17)6-13(7-14,8-18)5-11-3-4-11/h9-11,18H,3-8,14H2,1-2H3
InChIKeyKLJZYQFJFLKMRX-UHFFFAOYSA-N
XLogP1.14
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 106506897) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is CC(C)n1ncnc1CC(CN)(CO)CC1CC1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is KLJZYQFJFLKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-12(15-9-16-17)6-13(7-14,8-18)5-11-3-4-11/h9-11,18H,3-8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 106506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).