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

C7H15N7 — CID 63152221

IUPAC3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1nnnn1C
InChIInChI=1S/C7H15N7/c1-3-14(5-4-6(8)9)7-10-11-12-13(7)2/h3-5H2,1-2H3,(H3,8,9)
InChIKeyNNSMNEGPDLSCSK-UHFFFAOYSA-N
MW197.25 g/mol
LogP-0.64
Rot. Bonds5

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

3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide (PubChem CID 63152221) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
PubChem CID63152221
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1nnnn1C
InChIInChI=1S/C7H15N7/c1-3-14(5-4-6(8)9)7-10-11-12-13(7)2/h3-5H2,1-2H3,(H3,8,9)
InChIKeyNNSMNEGPDLSCSK-UHFFFAOYSA-N
XLogP-0.64
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-0.64
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-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide (CID 63152221) is 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)c1nnnn1C.
What is the InChIKey of 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
The InChIKey is NNSMNEGPDLSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c1-3-14(5-4-6(8)9)7-10-11-12-13(7)2/h3-5H2,1-2H3,(H3,8,9).
What are the key properties of 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide?
3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide has a molecular weight of 197.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 63152221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).