N-(2H-tetrazol-5-ylamino)formamide

C2H4N6O — CID 4608944

IUPACN-(2H-tetrazol-5-ylamino)formamide
SMILESO=CNNc1nn[nH]n1
InChIInChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h1H,(H,3,9)(H2,4,5,6,7,8)
InChIKeySMJGRMQGXWKKFK-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.73
Rot. Bonds3

About N-(2H-tetrazol-5-ylamino)formamide

N-(2H-tetrazol-5-ylamino)formamide (PubChem CID 4608944) has the molecular formula C2H4N6O and a molecular weight of 128.09 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylamino)formamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylamino)formamide
PubChem CID4608944
Molecular FormulaC2H4N6O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC NameN-(2H-tetrazol-5-ylamino)formamide
SMILESO=CNNc1nn[nH]n1
InChIInChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h1H,(H,3,9)(H2,4,5,6,7,8)
InChIKeySMJGRMQGXWKKFK-UHFFFAOYSA-N
XLogP-1.73
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylamino)formamide?
The IUPAC name of N-(2H-tetrazol-5-ylamino)formamide (CID 4608944) is N-(2H-tetrazol-5-ylamino)formamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylamino)formamide?
The canonical SMILES for N-(2H-tetrazol-5-ylamino)formamide is O=CNNc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylamino)formamide?
The InChIKey is SMJGRMQGXWKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h1H,(H,3,9)(H2,4,5,6,7,8).
What are the key properties of N-(2H-tetrazol-5-ylamino)formamide?
N-(2H-tetrazol-5-ylamino)formamide has a molecular weight of 128.09 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylamino)formamide is sourced from PubChem (CID 4608944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).