N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine

C14H26N4O — CID 128999444

IUPACN-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(CCn1cncn1)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)14-13(5-7-19-14)8-16-12(3)4-6-18-10-15-9-17-18/h9-14,16H,4-8H2,1-3H3/t12?,13-,14-/m1/s1
InChIKeyKCTDEXSVGMHNLS-ILMHWDKJSA-N
MW266.39 g/mol
LogP1.71
Rot. Bonds7

About N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine

N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 128999444) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID128999444
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(CCn1cncn1)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)14-13(5-7-19-14)8-16-12(3)4-6-18-10-15-9-17-18/h9-14,16H,4-8H2,1-3H3/t12?,13-,14-/m1/s1
InChIKeyKCTDEXSVGMHNLS-ILMHWDKJSA-N
XLogP1.71
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine (CID 128999444) is N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine is CC(CCn1cncn1)NC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is KCTDEXSVGMHNLS-ILMHWDKJSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)14-13(5-7-19-14)8-16-12(3)4-6-18-10-15-9-17-18/h9-14,16H,4-8H2,1-3H3/t12?,13-,14-/m1/s1.
What are the key properties of N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine?
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 128999444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).