N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine

C9H14N4 — CID 103739398

IUPACN-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cnnn1C
InChIInChI=1S/C9H14N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h1,8,10H,4-7H2,2H3
InChIKeyWZISHALFTQVICE-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.32
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine

N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine (PubChem CID 103739398) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
PubChem CID103739398
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1cnnn1C
InChIInChI=1S/C9H14N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h1,8,10H,4-7H2,2H3
InChIKeyWZISHALFTQVICE-UHFFFAOYSA-N
XLogP0.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
N-[(3-methyltriazol-4-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115682744
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
CID 115703082
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 115745052
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890
N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 115682761

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine (CID 103739398) is N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine is C#CCCCNCc1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine?
The InChIKey is WZISHALFTQVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-4-5-6-10-7-9-8-11-12-13(9)2/h1,8,10H,4-7H2,2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine?
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103739398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).