(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

C12H21N5O2 — CID 154817209

IUPAC(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C12H21N5O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h7-10,18H,2-6,13H2,1H3,(H,14,19)/t8-,9+,10+/m0/s1
InChIKeyVZFAXTQXLAZNSX-IVZWLZJFSA-N
MW267.33 g/mol
LogP-1.04
Rot. Bonds4

About (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 154817209) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID154817209
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C12H21N5O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h7-10,18H,2-6,13H2,1H3,(H,14,19)/t8-,9+,10+/m0/s1
InChIKeyVZFAXTQXLAZNSX-IVZWLZJFSA-N
XLogP-1.04
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 66010021
(1S,3R,4R)-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-[(2-piperidin-1-ylacetyl)amino]cyclopentane-1-carboxamide
CID 163318940
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 114424016
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744300
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63332330
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63330423
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
(1S,3R,4R)-3-[(5-cyano-2-pyridinyl)amino]-4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 163306918
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 154817209) is (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is Cn1cnnc1CCNC(=O)[C@H]1CC[C@@H](N)[C@H](O)C1.
What is the InChIKey of (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VZFAXTQXLAZNSX-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-17-7-15-16-11(17)4-5-14-12(19)8-2-3-9(13)10(18)6-8/h7-10,18H,2-6,13H2,1H3,(H,14,19)/t8-,9+,10+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 154817209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).