N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide

C5H9N5 — CID 541521

IUPACN,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide
SMILESCN(C)C=Nc1ncn[nH]1
InChIInChI=1S/C5H9N5/c1-10(2)4-7-5-6-3-8-9-5/h3-4H,1-2H3,(H,6,8,9)
InChIKeyDAEHJCJJONIPCX-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.03
Rot. Bonds2

About N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide

N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide (PubChem CID 541521) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide
PubChem CID541521
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC NameN,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide
SMILESCN(C)C=Nc1ncn[nH]1
InChIInChI=1S/C5H9N5/c1-10(2)4-7-5-6-3-8-9-5/h3-4H,1-2H3,(H,6,8,9)
InChIKeyDAEHJCJJONIPCX-UHFFFAOYSA-N
XLogP0.03
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide (CID 541521) is N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide is CN(C)C=Nc1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide?
The InChIKey is DAEHJCJJONIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-10(2)4-7-5-6-3-8-9-5/h3-4H,1-2H3,(H,6,8,9).
What are the key properties of N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide?
N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide has a molecular weight of 139.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1H-1,2,4-triazol-5-yl)methanimidamide is sourced from PubChem (CID 541521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).