N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine

C14H26N4 — CID 75439955

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1nc(C2CC2)n[nH]1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-5-6-9-18(11(2)3)10-13-15-14(17-16-13)12-7-8-12/h11-12H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyGDTONKFWCMIFMB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.08
Rot. Bonds8

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 75439955) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID75439955
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1nc(C2CC2)n[nH]1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-5-6-9-18(11(2)3)10-13-15-14(17-16-13)12-7-8-12/h11-12H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyGDTONKFWCMIFMB-UHFFFAOYSA-N
XLogP3.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 75439955) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1nc(C2CC2)n[nH]1)C(C)C.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is GDTONKFWCMIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-5-6-9-18(11(2)3)10-13-15-14(17-16-13)12-7-8-12/h11-12H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 75439955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).