N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine

C7H15N5 — CID 118244773

IUPACN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-11(2)4-5-12(3)7-8-6-9-10-7/h6H,4-5H2,1-3H3,(H,8,9,10)
InChIKeyWBARKRRIIHBODT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.20
Rot. Bonds4

About N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine (PubChem CID 118244773) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine
PubChem CID118244773
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-11(2)4-5-12(3)7-8-6-9-10-7/h6H,4-5H2,1-3H3,(H,8,9,10)
InChIKeyWBARKRRIIHBODT-UHFFFAOYSA-N
XLogP-0.20
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine (CID 118244773) is N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine is CN(C)CCN(C)c1ncn[nH]1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine?
The InChIKey is WBARKRRIIHBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-11(2)4-5-12(3)7-8-6-9-10-7/h6H,4-5H2,1-3H3,(H,8,9,10).
What are the key properties of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 118244773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).