(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine

C16H30N4O — CID 74245294

IUPAC(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCCCC[C@H](NC)c1nc(C2CCOCC2)nn1CCC
InChIInChI=1S/C16H30N4O/c1-4-6-7-14(17-3)16-18-15(19-20(16)10-5-2)13-8-11-21-12-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyUDWCBFBNFRBPTQ-AWEZNQCLSA-N
MW294.44 g/mol
LogP3.03
Rot. Bonds8

About (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine

(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine (PubChem CID 74245294) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine
PubChem CID74245294
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCCCC[C@H](NC)c1nc(C2CCOCC2)nn1CCC
InChIInChI=1S/C16H30N4O/c1-4-6-7-14(17-3)16-18-15(19-20(16)10-5-2)13-8-11-21-12-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyUDWCBFBNFRBPTQ-AWEZNQCLSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine?
The IUPAC name of (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine (CID 74245294) is (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine.
What is the SMILES notation for (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine?
The canonical SMILES for (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine is CCCC[C@H](NC)c1nc(C2CCOCC2)nn1CCC.
What is the InChIKey of (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine?
The InChIKey is UDWCBFBNFRBPTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-6-7-14(17-3)16-18-15(19-20(16)10-5-2)13-8-11-21-12-9-13/h13-14,17H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine?
(1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 74245294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).