N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

C10H13N5 — CID 64546351

IUPACN-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1cc(CNCCc2ncn[nH]2)ccn1
InChIInChI=1S/C10H13N5/c1-4-11-5-2-9(1)7-12-6-3-10-13-8-14-15-10/h1-2,4-5,8,12H,3,6-7H2,(H,13,14,15)
InChIKeyLKENVZSXGYDCCE-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.53
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 64546351) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID64546351
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESc1cc(CNCCc2ncn[nH]2)ccn1
InChIInChI=1S/C10H13N5/c1-4-11-5-2-9(1)7-12-6-3-10-13-8-14-15-10/h1-2,4-5,8,12H,3,6-7H2,(H,13,14,15)
InChIKeyLKENVZSXGYDCCE-UHFFFAOYSA-N
XLogP0.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545961
N,N-dimethyl-4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 64546774
N,N-diethyl-4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 64546177
N-[(4-nitrophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64548496
N-[(3-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545977
3-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 64545789
N-[(3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547939
N-[(4-pentoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547531
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
N-[(4-bromo-3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 81002911
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546146
N-(1H-indol-6-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102911084

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 64546351) is N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is c1cc(CNCCc2ncn[nH]2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is LKENVZSXGYDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-4-11-5-2-9(1)7-12-6-3-10-13-8-14-15-10/h1-2,4-5,8,12H,3,6-7H2,(H,13,14,15).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 64546351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).