propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate

C14H19N5O2 — CID 162647793

IUPACpropan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-9(2)19-8-15-18-13(19)11-6-5-7-12(16-11)17-14(20)21-10(3)4/h5-10H,1-4H3,(H,16,17,20)
InChIKeyGNPNOQNDUVOUBC-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.88
Rot. Bonds4

About propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate

propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate (PubChem CID 162647793) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
PubChem CID162647793
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Namepropan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C14H19N5O2/c1-9(2)19-8-15-18-13(19)11-6-5-7-12(16-11)17-14(20)21-10(3)4/h5-10H,1-4H3,(H,16,17,20)
InChIKeyGNPNOQNDUVOUBC-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The IUPAC name of propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate (CID 162647793) is propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The canonical SMILES for propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate is CC(C)OC(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
The InChIKey is GNPNOQNDUVOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)19-8-15-18-13(19)11-6-5-7-12(16-11)17-14(20)21-10(3)4/h5-10H,1-4H3,(H,16,17,20).
What are the key properties of propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate?
propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 162647793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).