N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole

C7H17N5 — CID 175431258

IUPACN',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole
SMILESCN(C)CCCN.c1nc[nH]n1
InChIInChI=1S/C5H14N2.C2H3N3/c1-7(2)5-3-4-6;1-3-2-5-4-1/h3-6H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyBCOUTBKNLMVXJU-UHFFFAOYSA-N
MW171.25 g/mol
LogP-0.30
Rot. Bonds3

About N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole

N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole (PubChem CID 175431258) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole.

Molecular Properties

Compound NameN',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole
PubChem CID175431258
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC NameN',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole
SMILESCN(C)CCCN.c1nc[nH]n1
InChIInChI=1S/C5H14N2.C2H3N3/c1-7(2)5-3-4-6;1-3-2-5-4-1/h3-6H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyBCOUTBKNLMVXJU-UHFFFAOYSA-N
XLogP-0.30
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole?
The IUPAC name of N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole (CID 175431258) is N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole.
What is the SMILES notation for N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole?
The canonical SMILES for N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole is CN(C)CCCN.c1nc[nH]n1.
What is the InChIKey of N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole?
The InChIKey is BCOUTBKNLMVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C2H3N3/c1-7(2)5-3-4-6;1-3-2-5-4-1/h3-6H2,1-2H3;1-2H,(H,3,4,5).
What are the key properties of N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole?
N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole has a molecular weight of 171.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropane-1,3-diamine;1H-1,2,4-triazole is sourced from PubChem (CID 175431258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).