N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine

C7H8N4 — CID 162368556

IUPACN-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine
SMILESC=CC(=C)Nc1ncncn1
InChIInChI=1S/C7H8N4/c1-3-6(2)11-7-9-4-8-5-10-7/h3-5H,1-2H2,(H,8,9,10,11)
InChIKeyATWBFKBUNRKAME-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.98
Rot. Bonds3

About N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine

N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine (PubChem CID 162368556) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine
PubChem CID162368556
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine
SMILESC=CC(=C)Nc1ncncn1
InChIInChI=1S/C7H8N4/c1-3-6(2)11-7-9-4-8-5-10-7/h3-5H,1-2H2,(H,8,9,10,11)
InChIKeyATWBFKBUNRKAME-UHFFFAOYSA-N
XLogP0.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
n2-(But-2-en-2-yl)-n4-((e)-prop-1-enyl)-1,3,5-triazine-2,4-diamine
CID 163320491
Allyl-[1,3,5]triazin-2-yl-amine
CID 54016589
2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 54418415
2-N,4-N-bis(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
CID 173309438
4-N-cyclohexa-1,5-dien-1-yl-2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3,5-triazine-2,4-diamine
CID 145146502

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine (CID 162368556) is N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine is C=CC(=C)Nc1ncncn1.
What is the InChIKey of N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ATWBFKBUNRKAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-3-6(2)11-7-9-4-8-5-10-7/h3-5H,1-2H2,(H,8,9,10,11).
What are the key properties of N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine?
N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine has a molecular weight of 148.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 162368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).