1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C16H30N10 — CID 21104235

IUPAC1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCNc1nc(N2CC(N)CC(N)C2)nc(N2CC(N)CC(N)C2)n1
InChIInChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24)
InChIKeyUUICSFRCIYTWFT-UHFFFAOYSA-N
MW362.49 g/mol
LogP-1.80
Rot. Bonds5

About 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21104235) has the molecular formula C16H30N10 and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21104235
Molecular FormulaC16H30N10
Molecular Weight362.49 g/mol
Exact Mass362.27
IUPAC Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCNc1nc(N2CC(N)CC(N)C2)nc(N2CC(N)CC(N)C2)n1
InChIInChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24)
InChIKeyUUICSFRCIYTWFT-UHFFFAOYSA-N
XLogP-1.80
TPSA161.26 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21104235) is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is C=CCNc1nc(N2CC(N)CC(N)C2)nc(N2CC(N)CC(N)C2)n1.
What is the InChIKey of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is UUICSFRCIYTWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N10/c1-2-3-21-14-22-15(25-6-10(17)4-11(18)7-25)24-16(23-14)26-8-12(19)5-13(20)9-26/h2,10-13H,1,3-9,17-20H2,(H,21,22,23,24).
What are the key properties of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 362.49 g/mol, XLogP of -1.80, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21104235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).