4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine

C11H20N4 — CID 104686988

IUPAC4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nnc(C(C)CCCN)n1C1CC1
InChIInChI=1S/C11H20N4/c1-8(4-3-7-12)11-14-13-9(2)15(11)10-5-6-10/h8,10H,3-7,12H2,1-2H3
InChIKeyBCYUWIORBLTECW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.76
Rot. Bonds5

About 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine

4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 104686988) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID104686988
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCc1nnc(C(C)CCCN)n1C1CC1
InChIInChI=1S/C11H20N4/c1-8(4-3-7-12)11-14-13-9(2)15(11)10-5-6-10/h8,10H,3-7,12H2,1-2H3
InChIKeyBCYUWIORBLTECW-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 104686988) is 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine is Cc1nnc(C(C)CCCN)n1C1CC1.
What is the InChIKey of 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is BCYUWIORBLTECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(4-3-7-12)11-14-13-9(2)15(11)10-5-6-10/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine?
4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 104686988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).