N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine

C7H15N5 — CID 131029070

IUPACN,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cnn(C)n1
InChIInChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-9-12(3)10-6/h5,7H,4,8H2,1-3H3
InChIKeyJWDDFFIJHNHKSO-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.62
Rot. Bonds3

About N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine (PubChem CID 131029070) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
PubChem CID131029070
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CN)c1cnn(C)n1
InChIInChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-9-12(3)10-6/h5,7H,4,8H2,1-3H3
InChIKeyJWDDFFIJHNHKSO-UHFFFAOYSA-N
XLogP-0.62
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine (CID 131029070) is N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine is CN(C)C(CN)c1cnn(C)n1.
What is the InChIKey of N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine?
The InChIKey is JWDDFFIJHNHKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-11(2)7(4-8)6-5-9-12(3)10-6/h5,7H,4,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 131029070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).