N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine

C14H20N4 — CID 63643657

IUPACN-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-3-12(4-2)15-10-13-14(17-18-16-13)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyVNDSGCRPSWXCHC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds6

About N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine

N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine (PubChem CID 63643657) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
PubChem CID63643657
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-3-12(4-2)15-10-13-14(17-18-16-13)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyVNDSGCRPSWXCHC-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine (CID 63643657) is N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine is CCC(CC)NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine?
The InChIKey is VNDSGCRPSWXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-12(4-2)15-10-13-14(17-18-16-13)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine?
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 63643657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).