N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine

C9H19N5 — CID 107041743

IUPACN'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cn(C)nn1
InChIInChI=1S/C9H19N5/c1-3-14(6-4-5-10)8-9-7-13(2)12-11-9/h7H,3-6,8,10H2,1-2H3
InChIKeyGSULJQBRJQGDAZ-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.01
Rot. Bonds6

About N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 107041743) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
PubChem CID107041743
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cn(C)nn1
InChIInChI=1S/C9H19N5/c1-3-14(6-4-5-10)8-9-7-13(2)12-11-9/h7H,3-6,8,10H2,1-2H3
InChIKeyGSULJQBRJQGDAZ-UHFFFAOYSA-N
XLogP-0.01
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103866980
3-bromo-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 107054179
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
1-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]-2-methylpropan-2-ol
CID 103866967
N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041752
ethane;4-ethyl-1-methyltriazole
CID 143593274
N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137193
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698388
N-(2-bromoethyl)-2,2-difluoro-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 107487611
N-(2-bromoethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 107054126

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine (CID 107041743) is N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine is CCN(CCCN)Cc1cn(C)nn1.
What is the InChIKey of N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is GSULJQBRJQGDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-3-14(6-4-5-10)8-9-7-13(2)12-11-9/h7H,3-6,8,10H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 197.29 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107041743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).