2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine

C8H17N5 — CID 82407018

IUPAC2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine
SMILESCc1nc(C(C)(CN)N(C)C)n[nH]1
InChIInChI=1S/C8H17N5/c1-6-10-7(12-11-6)8(2,5-9)13(3)4/h5,9H2,1-4H3,(H,10,11,12)
InChIKeyFURHZUVXDQCATN-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.15
Rot. Bonds3

About 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine

2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine (PubChem CID 82407018) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine
PubChem CID82407018
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine
SMILESCc1nc(C(C)(CN)N(C)C)n[nH]1
InChIInChI=1S/C8H17N5/c1-6-10-7(12-11-6)8(2,5-9)13(3)4/h5,9H2,1-4H3,(H,10,11,12)
InChIKeyFURHZUVXDQCATN-UHFFFAOYSA-N
XLogP-0.15
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine (CID 82407018) is 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine is Cc1nc(C(C)(CN)N(C)C)n[nH]1.
What is the InChIKey of 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine?
The InChIKey is FURHZUVXDQCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-6-10-7(12-11-6)8(2,5-9)13(3)4/h5,9H2,1-4H3,(H,10,11,12).
What are the key properties of 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine has a molecular weight of 183.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 82407018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).