1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol

C10H18N4O — CID 64821650

IUPAC1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc(C)n(CC(O)(CN)C2CC2)n1
InChIInChI=1S/C10H18N4O/c1-7-12-8(2)14(13-7)6-10(15,5-11)9-3-4-9/h9,15H,3-6,11H2,1-2H3
InChIKeyRNHCBHCPBWKEIS-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.01
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol

1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 64821650) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
PubChem CID64821650
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
SMILESCc1nc(C)n(CC(O)(CN)C2CC2)n1
InChIInChI=1S/C10H18N4O/c1-7-12-8(2)14(13-7)6-10(15,5-11)9-3-4-9/h9,15H,3-6,11H2,1-2H3
InChIKeyRNHCBHCPBWKEIS-UHFFFAOYSA-N
XLogP-0.01
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol (CID 64821650) is 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol is Cc1nc(C)n(CC(O)(CN)C2CC2)n1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is RNHCBHCPBWKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-12-8(2)14(13-7)6-10(15,5-11)9-3-4-9/h9,15H,3-6,11H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol?
1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 64821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).