(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol

C10H18N4O — CID 94554715

IUPAC(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nncn1C1CCCC1
InChIInChI=1S/C10H18N4O/c1-7(15)9(11)10-13-12-6-14(10)8-4-2-3-5-8/h6-9,15H,2-5,11H2,1H3/t7-,9+/m1/s1
InChIKeyPZIWZTQZWULJSR-APPZFPTMSA-N
MW210.28 g/mol
LogP0.77
Rot. Bonds3

About (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol

(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 94554715) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID94554715
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1nncn1C1CCCC1
InChIInChI=1S/C10H18N4O/c1-7(15)9(11)10-13-12-6-14(10)8-4-2-3-5-8/h6-9,15H,2-5,11H2,1H3/t7-,9+/m1/s1
InChIKeyPZIWZTQZWULJSR-APPZFPTMSA-N
XLogP0.77
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-1-amino-1-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-ol
CID 94554751
(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 94554729
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
CID 62696618
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24707659
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62711601
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
CID 55123160
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
CID 62710919
(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
CID 113278965
(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983689

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol (CID 94554715) is (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol is C[C@@H](O)[C@H](N)c1nncn1C1CCCC1.
What is the InChIKey of (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is PZIWZTQZWULJSR-APPZFPTMSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(15)9(11)10-13-12-6-14(10)8-4-2-3-5-8/h6-9,15H,2-5,11H2,1H3/t7-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol?
(1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 94554715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).