N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine

C8H17N5 — CID 118244757

IUPACN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncn[nH]1
InChIInChI=1S/C8H17N5/c1-12(2)5-4-6-13(3)8-9-7-10-11-8/h7H,4-6H2,1-3H3,(H,9,10,11)
InChIKeyJKPHWYMGLNFUTK-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.19
Rot. Bonds5

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

N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (PubChem CID 118244757) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
PubChem CID118244757
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncn[nH]1
InChIInChI=1S/C8H17N5/c1-12(2)5-4-6-13(3)8-9-7-10-11-8/h7H,4-6H2,1-3H3,(H,9,10,11)
InChIKeyJKPHWYMGLNFUTK-UHFFFAOYSA-N
XLogP0.19
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.19
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)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine (CID 118244757) is N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine is CN(C)CCCN(C)c1ncn[nH]1.
What is the InChIKey of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
The InChIKey is JKPHWYMGLNFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-12(2)5-4-6-13(3)8-9-7-10-11-8/h7H,4-6H2,1-3H3,(H,9,10,11).
What are the key properties of N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)propane-1,3-diamine has a molecular weight of 183.26 g/mol, XLogP of 0.19, 5 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)propane-1,3-diamine is sourced from PubChem (CID 118244757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).