N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

C4H6N6O — CID 25796

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)
InChIKeyBPISYIZLDVUTAP-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.40
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (PubChem CID 25796) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
PubChem CID25796
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)
InChIKeyBPISYIZLDVUTAP-UHFFFAOYSA-N
XLogP-1.40
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Hmmm TP243
CID 156601176
(Diamino-1,3,5-triazin-2-yl)urea
CID 14438739
Melamine formamide
CID 23023290
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364
formaldehyde;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18506374
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 18926846
1-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;hydroxylamine
CID 20291607
N-(4,6-diformamido-1,3,5-triazin-2-yl)formamide
CID 21693614

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (CID 25796) is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is Nc1nc(N)nc(NC=O)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The InChIKey is BPISYIZLDVUTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide has a molecular weight of 154.13 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 25796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).