3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide

C6H13N7 — CID 63152174

IUPAC3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)c1nnnn1C
InChIInChI=1S/C6H13N7/c1-12(4-3-5(7)8)6-9-10-11-13(6)2/h3-4H2,1-2H3,(H3,7,8)
InChIKeyNAAKAPPXAJHYSC-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.03
Rot. Bonds4

About 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide

3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide (PubChem CID 63152174) has the molecular formula C6H13N7 and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
PubChem CID63152174
Molecular FormulaC6H13N7
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)c1nnnn1C
InChIInChI=1S/C6H13N7/c1-12(4-3-5(7)8)6-9-10-11-13(6)2/h3-4H2,1-2H3,(H3,7,8)
InChIKeyNAAKAPPXAJHYSC-UHFFFAOYSA-N
XLogP-1.03
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The IUPAC name of 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide (CID 63152174) is 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The canonical SMILES for 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C)c1nnnn1C.
What is the InChIKey of 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The InChIKey is NAAKAPPXAJHYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7/c1-12(4-3-5(7)8)6-9-10-11-13(6)2/h3-4H2,1-2H3,(H3,7,8).
What are the key properties of 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide has a molecular weight of 183.22 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 63152174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).