N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine

C10H17N7 — CID 107049488

IUPACN-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1ncn[nH]1
InChIInChI=1S/C10H17N7/c1-3-4-11-9(10-12-7-13-15-10)5-8-6-17(2)16-14-8/h6-7,9,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZYIAYARZKDVOKD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.22
Rot. Bonds6

About N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine

N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine (PubChem CID 107049488) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
PubChem CID107049488
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1ncn[nH]1
InChIInChI=1S/C10H17N7/c1-3-4-11-9(10-12-7-13-15-10)5-8-6-17(2)16-14-8/h6-7,9,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZYIAYARZKDVOKD-UHFFFAOYSA-N
XLogP0.22
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107048847
N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
N-[1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049296
N-[1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65360790
N-[2-(4-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114347986
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-[2-(2,5-dimethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360249
N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050731
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine (CID 107049488) is N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)c1ncn[nH]1.
What is the InChIKey of N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ZYIAYARZKDVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-3-4-11-9(10-12-7-13-15-10)5-8-6-17(2)16-14-8/h6-7,9,11H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine?
N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107049488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).