N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine

C10H16N4 — CID 115682761

IUPACN-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1cnnn1C
InChIInChI=1S/C10H16N4/c1-4-6-9(5-2)11-7-10-8-12-13-14(10)3/h1,8-9,11H,5-7H2,2-3H3
InChIKeyUFADUEPUFIKCRH-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.71
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine

N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine (PubChem CID 115682761) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
PubChem CID115682761
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1cnnn1C
InChIInChI=1S/C10H16N4/c1-4-6-9(5-2)11-7-10-8-12-13-14(10)3/h1,8-9,11H,5-7H2,2-3H3
InChIKeyUFADUEPUFIKCRH-UHFFFAOYSA-N
XLogP0.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[(3-methyltriazol-4-yl)methyl]butan-2-amine
CID 115682672
N-[(1-methylpyrrol-2-yl)methyl]hex-5-yn-3-amine
CID 115654846
N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine
CID 107042699
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682303
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
CID 114986524
1-ethylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]propan-2-amine
CID 115682796
N-[(1-tert-butylpyrazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654889
N-[(1-tert-butyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 103399399
N-[(6-chloro-3-pyridinyl)methyl]hex-5-yn-3-amine
CID 115683729
N-[(3-methyltriazol-4-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115682744
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine (CID 115682761) is N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine is C#CCC(CC)NCc1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine?
The InChIKey is UFADUEPUFIKCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-6-9(5-2)11-7-10-8-12-13-14(10)3/h1,8-9,11H,5-7H2,2-3H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine?
N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine has a molecular weight of 192.27 g/mol, XLogP of 0.71, 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]hex-5-yn-3-amine is sourced from PubChem (CID 115682761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).