N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine

C9H15N7 — CID 107054715

IUPACN-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncn(Cc2cn(C)nn2)n1
InChIInChI=1S/C9H15N7/c1-3-10-4-9-11-7-16(13-9)6-8-5-15(2)14-12-8/h5,7,10H,3-4,6H2,1-2H3
InChIKeyWVKQSAULOPTYHA-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.44
Rot. Bonds5

About N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine

N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 107054715) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID107054715
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncn(Cc2cn(C)nn2)n1
InChIInChI=1S/C9H15N7/c1-3-10-4-9-11-7-16(13-9)6-8-5-15(2)14-12-8/h5,7,10H,3-4,6H2,1-2H3
InChIKeyWVKQSAULOPTYHA-UHFFFAOYSA-N
XLogP-0.44
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 107054650
4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
CID 107058851
4-[(4,5-diiodoimidazol-1-yl)methyl]-1-methyltriazole
CID 130508270
N-[[1-[(2-chloro-3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 112654516
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 82871698
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
ethane;1-methyl-4-propyltriazole
CID 168923376
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
ethane;4-ethyl-1-methyltriazole
CID 143593274

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine (CID 107054715) is N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is CCNCc1ncn(Cc2cn(C)nn2)n1.
What is the InChIKey of N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is WVKQSAULOPTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-10-4-9-11-7-16(13-9)6-8-5-15(2)14-12-8/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine?
N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 221.27 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107054715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).