(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate

C6H10N4O2 — CID 175549866

IUPAC(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate
SMILESCC(C)n1cnnc1OC(N)=O
InChIInChI=1S/C6H10N4O2/c1-4(2)10-3-8-9-6(10)12-5(7)11/h3-4H,1-2H3,(H2,7,11)
InChIKeyLIBOBHOOMUDIEO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.32
Rot. Bonds2

About (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate

(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate (PubChem CID 175549866) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate.

Molecular Properties

Compound Name(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate
PubChem CID175549866
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate
SMILESCC(C)n1cnnc1OC(N)=O
InChIInChI=1S/C6H10N4O2/c1-4(2)10-3-8-9-6(10)12-5(7)11/h3-4H,1-2H3,(H2,7,11)
InChIKeyLIBOBHOOMUDIEO-UHFFFAOYSA-N
XLogP0.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 140621561
4-propan-2-yl-1,2,4-triazol-3-amine
CID 62695120
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 62696237
3-bromo-4-propan-2-yl-1,2,4-triazole
CID 155819679
2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
2-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 62697766
2-(3-methyl-1,2,4-triazol-4-yl)butanamide
CID 142656014
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate?
The IUPAC name of (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate (CID 175549866) is (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate.
What is the SMILES notation for (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate?
The canonical SMILES for (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate is CC(C)n1cnnc1OC(N)=O.
What is the InChIKey of (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate?
The InChIKey is LIBOBHOOMUDIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)10-3-8-9-6(10)12-5(7)11/h3-4H,1-2H3,(H2,7,11).
What are the key properties of (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate?
(4-propan-2-yl-1,2,4-triazol-3-yl) carbamate has a molecular weight of 170.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,2,4-triazol-3-yl) carbamate is sourced from PubChem (CID 175549866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).