2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine

C9H19N5 — CID 130486243

IUPAC2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1cnnn1C
InChIInChI=1S/C9H19N5/c1-9(2,13(3)4)7-10-8-6-11-12-14(8)5/h6,10H,7H2,1-5H3
InChIKeyJKTNMLYSEOESGD-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.57
Rot. Bonds4

About 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine (PubChem CID 130486243) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
PubChem CID130486243
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1cnnn1C
InChIInChI=1S/C9H19N5/c1-9(2,13(3)4)7-10-8-6-11-12-14(8)5/h6,10H,7H2,1-5H3
InChIKeyJKTNMLYSEOESGD-UHFFFAOYSA-N
XLogP0.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine (CID 130486243) is 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine is CN(C)C(C)(C)CNc1cnnn1C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine?
The InChIKey is JKTNMLYSEOESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-9(2,13(3)4)7-10-8-6-11-12-14(8)5/h6,10H,7H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine is sourced from PubChem (CID 130486243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).