3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine

C14H26N4 — CID 130374438

IUPAC3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine
SMILESCCCC(C)/C=C\c1nnc(C(C)CCC)n1N
InChIInChI=1S/C14H26N4/c1-5-7-11(3)9-10-13-16-17-14(18(13)15)12(4)8-6-2/h9-12H,5-8,15H2,1-4H3/b10-9-
InChIKeyLUMSNBDYFWJILQ-KTKRTIGZSA-N
MW250.39 g/mol
LogP3.34
Rot. Bonds7

About 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine

3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine (PubChem CID 130374438) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine
PubChem CID130374438
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine
SMILESCCCC(C)/C=C\c1nnc(C(C)CCC)n1N
InChIInChI=1S/C14H26N4/c1-5-7-11(3)9-10-13-16-17-14(18(13)15)12(4)8-6-2/h9-12H,5-8,15H2,1-4H3/b10-9-
InChIKeyLUMSNBDYFWJILQ-KTKRTIGZSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine (CID 130374438) is 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine is CCCC(C)/C=C\c1nnc(C(C)CCC)n1N.
What is the InChIKey of 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine?
The InChIKey is LUMSNBDYFWJILQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-7-11(3)9-10-13-16-17-14(18(13)15)12(4)8-6-2/h9-12H,5-8,15H2,1-4H3/b10-9-.
What are the key properties of 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine?
3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 130374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).