4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine

C13H24N4 — CID 167217300

IUPAC4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
SMILESCC/C=C(/C)c1ncnn1C(C)(N)CC(C)C
InChIInChI=1S/C13H24N4/c1-6-7-11(4)12-15-9-16-17(12)13(5,14)8-10(2)3/h7,9-10H,6,8,14H2,1-5H3/b11-7-
InChIKeyIUMLRRNTAIABSG-XFFZJAGNSA-N
MW236.36 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine

4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine (PubChem CID 167217300) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
PubChem CID167217300
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
SMILESCC/C=C(/C)c1ncnn1C(C)(N)CC(C)C
InChIInChI=1S/C13H24N4/c1-6-7-11(4)12-15-9-16-17(12)13(5,14)8-10(2)3/h7,9-10H,6,8,14H2,1-5H3/b11-7-
InChIKeyIUMLRRNTAIABSG-XFFZJAGNSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine?
The IUPAC name of 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine (CID 167217300) is 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine is CC/C=C(/C)c1ncnn1C(C)(N)CC(C)C.
What is the InChIKey of 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine?
The InChIKey is IUMLRRNTAIABSG-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-7-11(4)12-15-9-16-17(12)13(5,14)8-10(2)3/h7,9-10H,6,8,14H2,1-5H3/b11-7-.
What are the key properties of 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine?
4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine is sourced from PubChem (CID 167217300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).