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

C7H15N7 — CID 63152222

IUPAC2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1nnnn1C
InChIInChI=1S/C7H15N7/c1-5(6(8)9)4-13(2)7-10-11-12-14(7)3/h5H,4H2,1-3H3,(H3,8,9)
InChIKeyPNSVDUMAIREYBN-UHFFFAOYSA-N
MW197.25 g/mol
LogP-0.78
Rot. Bonds4

About 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide

2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide (PubChem CID 63152222) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
PubChem CID63152222
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1nnnn1C
InChIInChI=1S/C7H15N7/c1-5(6(8)9)4-13(2)7-10-11-12-14(7)3/h5H,4H2,1-3H3,(H3,8,9)
InChIKeyPNSVDUMAIREYBN-UHFFFAOYSA-N
XLogP-0.78
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-0.78
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 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide (CID 63152222) is 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)c1nnnn1C.
What is the InChIKey of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The InChIKey is PNSVDUMAIREYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c1-5(6(8)9)4-13(2)7-10-11-12-14(7)3/h5H,4H2,1-3H3,(H3,8,9).
What are the key properties of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide has a molecular weight of 197.25 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 63152222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).